3-(2-chloropyridin-4-yl)-1-phenylurea

• ChemBase ID: 127470
• Molecular Formular: C12H10ClN3O
• Molecular Mass: 247.6803
• Monoisotopic Mass: 247.05123964
• SMILES: c1ccc(cc1)NC(=O)Nc1cc(ncc1)Cl
• Canonical SMILES: O=C(Nc1ccnc(c1)Cl)Nc1ccccc1
• InChI: InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)
• InChIKey: GPXLRLUVLMHHIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-chloropyridin-4-yl)-1-phenylurea; 1-(2-chloropyridin-4-yl)-3-phenylurea
• IUPAC Traditional name: forchlorfenuron; 1-(2-chloropyridin-4-yl)-3-phenylurea
• Synonyms: N-(2-Chloro-4-pyridyl)-N′-phenylurea; Forchlorfenuron; 4-CPPU; Forchlorfenuron; N-(2-Chloro-4-pyridyl)-N′-phenylurea; 1-(2-Chloro-4-pyridyl)-3-phenylurea; 4PU30; CN 11-3138; Fulmet; KT 30; N-Phenyl-N'-(2-chloro-4-pyridyl)urea; SKW 20010; Sitofex; V 3183; N-(2-Chloro-4-pyridyl)-N'-phenylurea; CPPU; 4PU30 cpd; Forchlorfenuron; 1-(2-Chloropyridin-4-yl)-3-phenylurea; N-(2-氯-4-吡啶基)-N′-苯基脲; 氯吡苯脲; 氯吡苯脲; N-(2-氯-4-吡啶基)-N′-苯基脲

Database IDs

• CAS Number: 68157-60-8
• MDL Number: MFCD00059898
• PubChem SID: 24892531; 162221789
• PubChem CID: 93379
• Chemspider ID: 84301
• KEGG ID: C18604
• Wikipedia Title: Forchlorfenuron

CALCULATED PROPERTIES

• Acid pKa: 11.169942
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7251527
• LogD (pH = 7.4): 2.725134
• Log P: 2.7252047
• Molar Refractivity: 69.762 cm^3
• Polarizability: 25.128353 Å^3
• Polar Surface Area: 54.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: White Solid
• Melting Point: 168-171°C

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 40-51/53
• Safety Statements: 36/37-46-61
• GHS Pictograms: GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H351-H411
• GHS Precautionary statements: P273-P281
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Grade: PESTANAL®, analytical standard
• Product Line: BioReagent
• Empirical Formula (Hill Notation): C12H10ClN3O

DETAILS

Sigma Aldrich - C2791

Application
Forchlorfenuron (CPPU) is a cytokinin that enhances in vitro direct shoot organogenesis of Citrus aurantium L. epicotyl segments.
Biochem/physiol Actions
CPPU is a cytokinin oxidase/dehydrogenase (CKO) inhibitor.

Sigma Aldrich - 32974

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - F691050

Forchlorfenuronis is a diphenylurea-derivative cytokinin. Forchlorfenuronis is used as a plant growth regulator (PGR). Forchlorfenuronis is commonly used in horticulture to stimulate the growth of kiwi fruit and grapes.

REFERENCES

• Iwahori, S. et al.: Sci. Horticult., 35, 109 (1988)
• Peppi, M.C. et al.: Horscience, 43, 173 (1988)
• Woolley, D. et al.: Acta Horticult., 727, 291 (1988)